Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-
TL;DR: Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- (CAS 35443-91-5) is a chemical compound with molecular formula C11H4ClF6NO3 and molecular weight 346.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
Also Known As: CROTONOPHENONE, 4'-CHLORO-3'-NITRO-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-, 2-Buten-1-one, 1-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-, 1-(4-Chloro-3-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-one, 1-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one, 1-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-(trifluoromethy
| Molecular Formula | C11H4ClF6NO3 |
|---|---|
| Molecular Weight | 346.98 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.9784 |
| Heavy Atoms | 22 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 35443-91-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)C=C(C(F)(F)F)C(F)(F)F)[N+](=O)[O-])Cl |
| InChIKey | KAKYPTAPQSETLZ-UHFFFAOYSA-N |
Product Overview
Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- (CAS 35443-91-5), with molecular formula C11H4ClF6NO3 and molecular weight 346.98 g/mol. IUPAC: 1-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one.
Chemical Property Profile of Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-
Property Insights of Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-
The XLogP value of 4.4 indicates that Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-. Following Lipinski's Rule of Five, Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-?
The CAS number of Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- is 35443-91-5.
What is the molecular formula of Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-?
The molecular formula of Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- is C11H4ClF6NO3.
What is the molecular weight of Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-?
The molecular weight of Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- is 346.98 g/mol.
Where can I buy Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-?
You can request a quote for Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.